Molecule

ID:108234

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
InChIKey
VVSRECWZBBJOTG-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)C)CO
Isomeric Smiles
CC(CO)C(=O)C
Calculated Properties
JChem
Acid pKa
15.322931
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.06903078
LogD (pH = 7.4)
0.06903077
Log P
0.06903078
Molar Refractivity
27.1709
Polarizability
10.648865
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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